SCHEMBL6678044

SCHEMBL6678044

c1ccc2sc(SN(Sc3nc4ccccc4s3)C3CCCCC3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
CYP2D6 P10635 4/20 0.65
TXN P10599 1/20 0.59
ALDH1A1 P00352 7/20 0.58
HPGD P15428 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 3/20 0.51
FBP1 P09467 2/20 0.51
ALOX15 P16050 2/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
MC5R P33032 1/20 0.51
OPRM1 P35372 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7050295 0.88 CYP1A2 (0.56) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL212831 0.88 CYP1A2 (0.65) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL29351180 0.88 CYP1A2 (0.65) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11536996 0.87 CYP1A2 (0.63) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11295898 0.86 CYP1A2 (0.62) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11680639 0.83 CYP1A2 (0.60) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11683131 0.83 CYP1A2 (0.60) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11683039 0.83 CYP1A2 (0.60) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11683681 0.83 CYP1A2 (0.60) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11684060 0.83 CYP1A2 (0.60) CYP1A2CYP2D6TXNALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299604-B2 Rubber mixture and tire made by the same ZHEJIANG GEELY HOLDING GROUP CO., LTD. (CN) 2022-04-12 US disclosed
US-20200062934-A1 RUBBER MIXTURE AND TIRE MADE BY THE SAME ZHEJIANG GEELY HOLDING GROUP CO., LTD. (CN) 2020-02-27 US disclosed
EP-1155076-B1 IN SITU PREPARATION OF A BIS-(BENZOTHIAZOLESULFEN)AMIDE IN A POLYMERIC MATRIX UNIROYAL CHEM CO INC (US) 2004-10-20 EP disclosed
US-6573339-B1 Reacting a mixture consisting of an N-hydrocarbyl-2-benzothiazolesulfenamide and an anhydride of an aliphatic dicarboxylic acid containing four to six carbon atoms in situ in a natural or synthetic elastomer matrix UNIROYAL CHEMICAL COMPANY, INC. 2003-06-03 US disclosed
EP-1155076-A1 IN SITU PREPARATION OF A BIS-(BENZOTHIAZOLESULFEN)AMIDE IN A POLYMERIC MATRIX UNIROYAL CHEMICAL COMPANY, Inc. (US) 2001-11-21 EP disclosed
WO-2000042099-A1 IN SITU PREPARATION OF A BIS-(BENZOTHIAZOLESULFEN)AMIDE IN A POLYMERIC MATRIX UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-07-20 WO disclosed